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SMILES: CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=WNFJASDZOJMGEK-LJAQVGFWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9814   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)		BDBM9814
PNG
((2S)-6-{[benzyl(pyridin-4-ylmethyl)carbamoyl]amino...)
Show SMILES CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C31H40N4O5S/c1-24(2)21-35(41(39,40)28-14-12-25(3)13-15-28)29(30(36)37)11-7-8-18-33-31(38)34(22-26-9-5-4-6-10-26)23-27-16-19-32-20-17-27/h4-6,9-10,12-17,19-20,24,29H,7-8,11,18,21-23H2,1-3H3,(H,33,38)(H,36,37)/t29-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.70 -11.7n/an/an/an/an/a4.730



Procyon Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...

Bioorg Med Chem Lett 14: 3971-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.049
BindingDB Entry DOI: 10.7270/Q22V2DB2
More data for this
Ligand-Target Pair